4-Amino-5-methylbenzo-2,1,3-benzothiadiazole
TL;DR: 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole (CAS 53552-19-5) is a chemical compound with molecular formula C7H7N3S and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2,1,3-benzothiadiazol-4-amine
Also Known As: 5-methyl-2,1,3-benzothiadiazol-4-amine, null, 5-Methyl-benzo[1,2,5]thiadiazol-4-ylamine, 5-Methylbenzo[c][1,2,5]thiadiazol-4-amine, BAS 06839519
| Molecular Formula | C7H7N3S |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.58192 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.03607 |
| Heavy Atoms | 11 |
| Complexity | 393.48505 |
Chemical Identifiers
| CAS Number | 53552-19-5 |
|---|---|
| SMILES | CC1=C(C2=NSN=C2C=C1)N |
Product Overview
4-Amino-5-methylbenzo-2,1,3-benzothiadiazole (CAS 53552-19-5), with molecular formula C7H7N3S and molecular weight 165.04 g/mol. IUPAC: 5-methyl-2,1,3-benzothiadiazol-4-amine.
Chemical Property Profile of 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole
Property Insights of 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole
The XLogP value of 1.58192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole?
The CAS number of 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole is 53552-19-5.
What is the molecular formula of 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole?
The molecular formula of 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole is C7H7N3S.
What is the molecular weight of 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole?
The molecular weight of 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole is 165.04 g/mol.
Where can I buy 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole?
You can request a quote for 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-methylbenzo-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.